On distance dependent entropy measures of poly propylene imine and zinc porphyrin dendrimers

Abstract

A key paradigm in contemporary research is the use of graphs to represent physical systems, molecular structures, or particularly metal frameworks. Graphs are increasingly widely used in a variety of fields, including the study of quantum and molecular systems, macromolecules and their interactions, socioeconomic and ecological systems, and technical and infra‐structural systems. Understanding how these systems function, are robust, and are stable begins with structural characterization. The use of entropies and entropy‐like measurements of graphs/structures of molecules/networks is crucial from both a mathematical and physical standpoint. Several entropy measures of graphs have been defined and studied extensively during the last few decades. The current paper is devoted to investigation of distance dependent entropy measures of Poly Propylene Imine (PPI) dendrimers and Zinc Porphyrin dendrimers. The analytical formulae of distance dependent entropy measures have been developed and their patterns have been presented through graphical tools.

Neighbourhood Degree-Based Graph Descriptors: A Comprehensive Analysis of Connectivity Patterns in Diverse Graph Families and Their Applicapability

“…Additionally, in material science, topological indices play a role in predicting various physicochemical properties, contributing to the development of novel materials with tailored characteristics [14]. The usefulness of topological indices can be seen in bioinformatics, where they are used to study molecular networks and figure out how living things are connected [15][16][17].…”

Exploring Novel Topological Descriptors: Geometric-Harmonic and Harmonic-Geometric Descriptors for HAC and HAP Conjugates

“…Researchers have also looked into how to combine topological indices with other molecular descriptors to make hybrid models that give a fuller picture of how molecules behave [22]. Beyond their role in drug design, isomer discrimination, chemical documentation, and biological characterization, TIs find special applications in mathematical chemistry [23][24][25][26]. This diverse range of applications underscores the versatility and importance of TIs in understanding and manipulating molecular structures, making them indispensable tools in various scientific and industrial pursuits.…”